Chemical Properties of Pentane, 3-ethyl-3-methyl- (CAS 1067-08-9)

InChI

InChI=1S/C8H18/c1-5-8(4,6-2)7-3/h5-7H2,1-4H3

InChI Key

GIEZWIDCIFCQPS-UHFFFAOYSA-N

Formula

C8H18

SMILES

CCC(C)(CC)CC

Molecular Weight¹

114.23

CAS

1067-08-9

Other Names

• 3-ETHYL-3-METHYLPENTANE
• 3-Methyl-3-ethylpentane

• ω : Acentric Factor.
• AP : Aniline Point (K).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3030		KDB
AP	339.050	K	KDB
ΔcH°liquid	-5467.70 ± 1.10	kJ/mol	NIST
ΔfG°	19.93	kJ/mol	KDB
Δc,grossH	5467.65	kJ/mol	KDB
Δc,netH	5071.510	kJ/mol	KDB
ΔfH°gas	[-215.10; -215.00]	kJ/mol
ΔfH°gas	-215.10	kJ/mol	KDB
ΔfH°gas	-215.00 ± 1.30	kJ/mol	NIST
ΔfH°liquid	-253.00 ± 1.30	kJ/mol	NIST
ΔfusH°	9.06	kJ/mol	Joback Calculated Property
ΔvapH°	[37.98; 38.05]	kJ/mol
ΔvapH°	38.05	kJ/mol	NIST
ΔvapH°	38.00	kJ/mol	NIST
ΔvapH°	38.00 ± 0.10	kJ/mol	NIST
ΔvapH°	37.98	kJ/mol	NIST
log10WS	-2.93		Crippen Calculated Property
logPoct/wat	3.223		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
Pc	[2807.30; 2810.00]	kPa
Pc	2810.00	kPa	KDB
Pc	2810.00 ± 40.00	kPa	NIST
Pc	2807.30 ± 40.53	kPa	NIST
ρc	[251.30; 251.30]	kg/m3
ρc	251.30 ± 4.57	kg/m3	NIST
ρc	251.30 ± 4.57	kg/m3	NIST
Inp	[763.06; 783.00]
Inp	765.00		NIST
Inp	769.00		NIST
Inp	772.00		NIST
Inp	773.80		NIST
Inp	776.90		NIST
Inp	768.40		NIST
Inp	769.30		NIST
Inp	770.20		NIST
Inp	771.20		NIST
Inp	772.00		NIST
Inp	772.20		NIST
Inp	769.00		NIST
Inp	769.00		NIST
Inp	769.00		NIST
Inp	780.00		NIST
Inp	780.00		NIST
Inp	778.60		NIST
Inp	776.00		NIST
Inp	774.00		NIST
Inp	778.00		NIST
Inp	774.10		NIST
Inp	781.00		NIST
Inp	769.00		NIST
Inp	780.00		NIST
Inp	772.00		NIST
Inp	769.00		NIST
Inp	774.00		NIST
Inp	777.00		NIST
Inp	781.00		NIST
Inp	770.00		NIST
Inp	774.00		NIST
Inp	778.00		NIST
Inp	772.00		NIST
Inp	775.00		NIST
Inp	778.00		NIST
Inp	764.00		NIST
Inp	766.50		NIST
Inp	768.40		NIST
Inp	765.42		NIST
Inp	766.00		NIST
Inp	763.06		NIST
Inp	765.47		NIST
Inp	766.94		NIST
Inp	764.38		NIST
Inp	766.76		NIST
Inp	768.22		NIST
Inp	764.00		NIST
Inp	774.00		NIST
Inp	Outlier 783.00		NIST
Inp	778.00		NIST
Inp	773.00		NIST
Inp	770.00		NIST
Inp	768.00		NIST
Inp	770.00		NIST
Inp	781.00		NIST
Inp	774.00		NIST
Inp	776.00		NIST
Inp	766.00		NIST
Inp	765.00		NIST
Inp	764.00		NIST
Inp	774.00		NIST
Inp	781.00		NIST
Inp	764.00		NIST
Inp	768.40		NIST
Inp	766.94		NIST
Tboil	[391.18; 391.95]	K
Tboil	391.42	K	KDB
Tboil	391.40	K	NIST
Tboil	391.40	K	NIST
Tboil	391.41 ± 0.20	K	NIST
Tboil	391.53 ± 0.20	K	NIST
Tboil	391.60 ± 0.30	K	NIST
Tboil	391.20 ± 0.30	K	NIST
Tboil	391.43 ± 0.20	K	NIST
Tboil	Outlier 391.95 ± 0.30	K	NIST
Tboil	391.18 ± 0.30	K	NIST
Tboil	391.43 ± 0.15	K	NIST
Tboil	391.43 ± 0.30	K	NIST
Tboil	391.40 ± 0.02	K	NIST
Tboil	391.41 ± 0.05	K	NIST
Tboil	391.65 ± 0.30	K	NIST
Tboil	391.55 ± 0.60	K	NIST
Tboil	391.50 ± 0.20	K	NIST
Tboil	391.55 ± 0.20	K	NIST
Tc	[576.50; 576.51]	K
Tc	576.50	K	KDB
Tc	576.50 ± 0.50	K	NIST
Tc	576.50	K	NIST
Tc	576.51 ± 0.40	K	NIST
Tfus	182.20	K	KDB
Vc	[0.455; 0.455]	m3/kmol
Vc	0.455	m3/kmol	KDB
Vc	0.455	m3/kmol	NIST
Zc	0.2667360		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.27; 303.76]	J/mol×K	[403.30; 521.70]
Cp,gas	247.27	J/mol×K	403.30	NIST
Cp,gas	275.73	J/mol×K	462.60	NIST
Cp,gas	303.76	J/mol×K	521.70	NIST
η	[0.0002773; 0.0113690]	Pa×s	[182.34; 379.21]
η	0.0113690	Pa×s	182.34	Joback Calculated Property
η	0.0038192	Pa×s	215.15	Joback Calculated Property
η	0.0017124	Pa×s	247.96	Joback Calculated Property
η	0.0009261	Pa×s	280.77	Joback Calculated Property
η	0.0005696	Pa×s	313.59	Joback Calculated Property
η	0.0003841	Pa×s	346.40	Joback Calculated Property
η	0.0002773	Pa×s	379.21	Joback Calculated Property
ΔvapH	[32.78; 40.20]	kJ/mol	[320.00; 391.40]
ΔvapH	40.20	kJ/mol	320.00	NIST
ΔvapH	36.90	kJ/mol	352.50	NIST
ΔvapH	32.79	kJ/mol	391.40	KDB
ΔvapH	32.78	kJ/mol	391.40	NIST
n0	1.40549		298.15	KDB
ρl	727.00	kg/m3	293.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[282.74; 418.63]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42156e+01
Coefficient B			-3.35442e+03
Coefficient C			-4.19010e+01
Temperature range, min.			282.74
Temperature range, max.			418.63
Pvap	1.33	kPa	282.74	Calculated Property
Pvap	3.03	kPa	297.84	Calculated Property
Pvap	6.29	kPa	312.94	Calculated Property
Pvap	12.09	kPa	328.04	Calculated Property
Pvap	21.76	kPa	343.14	Calculated Property
Pvap	37.02	kPa	358.23	Calculated Property
Pvap	60.02	kPa	373.33	Calculated Property
Pvap	93.28	kPa	388.43	Calculated Property
Pvap	139.74	kPa	403.53	Calculated Property
Pvap	202.66	kPa	418.63	Calculated Property
Pvap	[6.27e-05; 2791.95]	kPa	[182.28; 576.50]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.90694e+01
Coefficient B			-7.10610e+03
Coefficient C			-9.60229e+00
Coefficient D			6.71857e-06
Temperature range, min.			182.28
Temperature range, max.			576.50
Pvap	6.27e-05	kPa	182.28	Calculated Property
Pvap	0.02	kPa	226.08	Calculated Property
Pvap	0.59	kPa	269.88	Calculated Property
Pvap	6.55	kPa	313.69	Calculated Property
Pvap	36.50	kPa	357.49	Calculated Property
Pvap	131.69	kPa	401.29	Calculated Property
Pvap	356.90	kPa	445.09	Calculated Property
Pvap	797.45	kPa	488.90	Calculated Property
Pvap	1561.34	kPa	532.70	Calculated Property
Pvap	2791.95	kPa	576.50	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 3-ethyl-3-methyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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